Structural, luminescence, and electronic properties of the alkaline metal-strontium cyclotetravanadates M2Sr(VO3)(4), (M=Na, K, Rb, Cs) / Slobodin BV,Surat LL,Zubkov VG,Tyutyunnik AP,Berger IF,Kuznetsov MV,Perelyaeva LA,Shein IR,Ivanovskii AL,Shulgin BV,Solomonov VI,Svensson G,Forslund B,Sayagues MJ // PHYSICAL REVIEW B. - 2005. - V. 72, l. 15.

ISSN/EISSN:

1098-0121 / нет данных

Type:

Article

Abstract:

Structural, luminescence, and electronic properties of the family of alkaline metal-strontium cyclotetravanadates M2Sr(VO3)(4), M=Na, K, Rb, and Cs have been characterized by means of elemental analyses, x-ray powder diffraction, neutron diffraction, electron diffraction, infrared, Raman, photo, x rays, pulse cathode beam excitation, x-ray photoelectron spectroscopy and band structure calculations. The M2Sr(VO3)(4) system have tetragonal structures Na-, K-, Rb-P4/nbm and Cs-P4/mmm, with a=10.63449(4), 10.94106(6), 11.08889(8), 7.9183(3) and c=4.96205(4), 5.31600(4), 5.46682(8), 5.5778(3) A, respectively. The main structural feature of M2Sr(VO3)(4) is tetracyclic {[}V4O12] units. When going from Na2Sr(VO3)(4) to Cs2Sr(VO3)(4) do the coordination polyhedron around the alkaline metal change continuously from an octahedron to a hexagonal prism and that around the strontium from a square antiprism to a square prism. The hybridized O 2p-V 3d states of tetracyclic {[}V4O12] units have a dominant influence on the electronic structure of these compounds. All M2Sr(VO3)(4) are semiconducting with a decreasing LDA band gap (E-a) from 2.02 for Na2Sr(VO3)(4) to 1.56 eV for Cs2Sr(VO3)(4).

Author keywords:

CRYSTAL-STRUCTURE; NANOTUBES; VANADATE; TETRAMETAPHOSPHATE; NA2V3O7

DOI:

10.1103/PhysRevB.72.155205

Web of Science ID:

ISI:000232934400066

Соавторы в МНС:

Другие поля

Поле	Значение
Month	OCT
Publisher	AMER PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	155205
Keywords-Plus	CRYSTAL-STRUCTURE; NANOTUBES; VANADATE; TETRAMETAPHOSPHATE; NA2V3O7
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	gunnar@struc.su.se
ResearcherID-Numbers	Tyutyunnik, Alexander/P-2230-2015 Shein, Igor/H-3436-2016 SAYAGUES, MARIA JESUS/J-7039-2012 Kuznetsov, Mikhail/N-4007-2014
ORCID-Numbers	Shein, Igor/0000-0003-0153-0225 SAYAGUES, MARIA JESUS/0000-0002-5555-310X Kuznetsov, Mikhail/0000-0002-4464-0355
Number-of-Cited-References	29
Usage-Count-Since-2013	11
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	979IA